tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate

C14H24N2O4 — CID 68825037

IUPACtert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate
SMILESCOCNC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-7-5-11(6-8-16)9-12(17)15-10-19-4/h9H,5-8,10H2,1-4H3,(H,15,17)
InChIKeyUNDHURYNPYKGOI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.66
Rot. Bonds3

About tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate

tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate (PubChem CID 68825037) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate
PubChem CID68825037
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate
SMILESCOCNC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-7-5-11(6-8-16)9-12(17)15-10-19-4/h9H,5-8,10H2,1-4H3,(H,15,17)
InChIKeyUNDHURYNPYKGOI-UHFFFAOYSA-N
XLogP1.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate (CID 68825037) is tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate is COCNC(=O)C=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate?
The InChIKey is UNDHURYNPYKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)16-7-5-11(6-8-16)9-12(17)15-10-19-4/h9H,5-8,10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate?
tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(methoxymethylamino)-2-oxoethylidene]piperidine-1-carboxylate is sourced from PubChem (CID 68825037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).